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Compile Data Set for Download or QSAR

Found 46 hits Enz. Inhib. hit(s) with all data for entry = 50036302   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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0.600n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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0.800n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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1.90n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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5n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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6n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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8n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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8n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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9n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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10n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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11n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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15n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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15n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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16n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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17n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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17n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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19n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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20n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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33n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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39n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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45n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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90n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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98n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26263
PNG
(Anexate | CHEMBL407 | FLUMAZENIL | Ro15-1788 | Rom...)
Show SMILES CCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(F)ccc-21
Show InChI InChI=1S/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
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106n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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108n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-1-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50001478
PNG
(9H-beta-Carboline-3-carboxylic acid methyl ester |...)
Show SMILES COC(=O)c1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C13H10N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-7,14H,1H3
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190n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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400n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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620n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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780n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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980n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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1.40E+3n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr,gly,val)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-2/gamma-2


(Rattus norvegicus (Rat)-RAT)
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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1.62E+3n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-3-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50035527
PNG
(3-Methyl-9H-beta-carboline | CHEMBL344859)
Show SMILES Cc1cc2c(c[nH]1)nc1ccccc21
Show InChI InChI=1S/C12H10N2/c1-8-6-10-9-4-2-3-5-11(9)14-12(10)7-13-8/h2-7,13H,1H3
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2.05E+3n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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4.30E+3n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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6.00E+3n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-6-(his,thr)beta2gama2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM26266
PNG
(Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...)
Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1
Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2


(Rattus norvegicus (Rat))
BDBM50000766
PNG
(CHEMBL12 | DIAZEPAM | US9271961, Diazepam)
Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10|
Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for mutant rat GABA-A receptor alpha-1-(arg)-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-6/beta-2/gamma-2


(RAT-Rattus norvegicus (Rat))
BDBM50026756
PNG
(3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triaz...)
Show SMILES Cc1nnc2ccc(nn12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H9F3N4/c1-8-17-18-12-6-5-11(19-20(8)12)9-3-2-4-10(7-9)13(14,15)16/h2-7H,1H3
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
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UniChem

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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Heidelberg

Curated by ChEMBL


Assay Description
Binding affinity for rat GABA-A receptor alpha-6-beta-2-gamma-2 subunits expressed in HEK293 cells


J Med Chem 37: 4576-80 (1995)


BindingDB Entry DOI: 10.7270/Q2154HPB
More data for this
Ligand-Target Pair